(3S)-N-(3,4-dimethoxyphenyl)-1-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine Traditional Name: (3,4-dimethoxyphenyl)-[(3S)-1-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]amine Formula: C24H36N4O2+2 MolecularWeight: 412.56824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CN=CC=C4)OC

InChI

InChI=1S/C24H34N4O2/c1-29-23-8-7-20(15-24(23)30-2)26-21-6-4-12-28(18-21)22-9-13-27(14-10-22)17-19-5-3-11-25-16-19/h3,5,7-8,11,15-16,21-22,26H,4,6,9-10,12-14,17-18H2,1-2H3/p+2/t21-/m0/s1